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The inclusion complex ofβ-cyclodextrin(β-CD) with 4-chlorobenzoic acid was synthesized and its crystal structure was determined by single crystal X-ray diffraction under cryogenic condition.The complex contains twoβ-CDs,two 4-chlorobenzoic acids and twenty-nine water molecules in the asymmetric unit,and can be formulated as 2(C_(42)H_(70)O_(35))·2(C_7H_5O_2Cl)·29(H_2O).In the crystal lattice,twoβ-CDs form a face-to-face dimer jointed together through hydrogen bonding between the secondary hydroxyl groups ofβ-CDs.Two 4-chlorobenzoic acid molecules which contact by C-Cl…πinteractions are included in theβ-CD dimer cavity.Theβ-CD dimers are arranged in brickwork-like pattern along the crystallographic a-axis.The effect of guest molecule length on the inclusion geometry was discussed by comparative study of someβ-CD complexes containing similar guests.
The inclusion complex of β-cyclodextrin (β-CD) with 4-chlorobenzoic acid was synthesized and its crystal structure was determined by single crystal X-ray diffraction under cryogenic conditions. The complex contains two β-CDs, two 4-chlorobenzoic acids and twenty- nine water molecules in the asymmetric unit, and can be formulated as 2 (C_ (42) H_ (70) O_ (35)) · 2 (C_7H_5O_2Cl) · 29 (H_2O) .In the crystal lattice, twoβ-CDs form a face -to-face dimer jointed through hydrogen bonding between the secondary hydroxyl groups of β-CDs.Two 4-chlorobenzoic acid molecules which contact by C-Cl ... πinteractions are included in the β-CD dimer cavity.Theβ-CD dimers are arranged in brickwork -like pattern along the crystallographic a-axis. The effect of guest molecule length on the inclusion geometry was discussed by comparative study of some β-CD complexes containing similar guests.